! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   5.3949586358  -0.5167801429   0.7445940725
O   -0.2588736807  -0.3766134092  -0.7833421013
O   -3.1512417558  -0.0859431112  -1.3699753506
N   -1.3690889620   1.5516396097  -0.0780751825
N   -1.5599937222   2.3246976439   0.9981245213
N   -1.5430198039   3.5587783394  -0.8754887922
C   -2.9277263703  -1.8804762934   0.2161945847
C   -2.5328223812  -0.5912157248  -0.4688356899
C   -1.2640283138   0.1228021161   0.0458776460
C   -1.7139150052  -2.7691877238   0.5041704968
C   -3.5843207677  -1.4616011933   1.5442363114
C   -3.9343089750  -2.6428032294  -0.6394751161
C    1.0410741977  -0.3586389481  -0.3597740589
C   -1.3707358749   2.2988973609  -1.1864679583
C    1.4890899756   0.3148256394   0.7675914834
C    1.9327559769  -1.0759606273  -1.1493539247
C   -1.6570535861   3.5133967469   0.4671392112
C    2.8353499849   0.2610562000   1.1063738803
C    3.2727310386  -1.1239851330  -0.8132306673
C    3.7173076307  -0.4550038142   0.3183606576
H   -1.0874170465  -0.0886089824   1.1036986606
H   -2.0526150858  -3.6703002060   1.0155227752
H   -1.2085921201  -3.0797013520  -0.4100528804
H   -0.9798928379  -2.2992133777   1.1595290105
H   -3.9017189002  -2.3560043078   2.0819699014
H   -4.4654765746  -0.8402404574   1.3792118131
H   -2.9022800181  -0.9170747215   2.2001835814
H   -4.2201255203  -3.5642937080  -0.1312026574
H   -3.5122098785  -2.9174346266  -1.6071539616
H   -4.8445042171  -2.0701838674  -0.8157827513
H   -1.2250148252   1.9041206922  -2.1783087233
H    0.8304076386   0.8941390272   1.4001561916
H    1.5766201174  -1.5992601474  -2.0269268783
H   -1.8111644319   4.3903206945   1.0752291733
H    3.1804658636   0.7868546422   1.9855523595
H    3.9602910825  -1.6853683648  -1.4304540858
*